(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine

C18H30N2 — CID 170276263

IUPAC(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine
SMILESC/C=C(/C=C(\N)CCC(CC)CC)C1=CCCN=C1C
InChIInChI=1S/C18H30N2/c1-5-15(6-2)10-11-17(19)13-16(7-3)18-9-8-12-20-14(18)4/h7,9,13,15H,5-6,8,10-12,19H2,1-4H3/b16-7-,17-13-
InChIKeyNKCCHSLOMNUHLF-TZSQYTAESA-N
MW274.45 g/mol
LogP4.78
Rot. Bonds7

About (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine

(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine (PubChem CID 170276263) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine.

Molecular Properties

Compound Name(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine
PubChem CID170276263
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine
SMILESC/C=C(/C=C(\N)CCC(CC)CC)C1=CCCN=C1C
InChIInChI=1S/C18H30N2/c1-5-15(6-2)10-11-17(19)13-16(7-3)18-9-8-12-20-14(18)4/h7,9,13,15H,5-6,8,10-12,19H2,1-4H3/b16-7-,17-13-
InChIKeyNKCCHSLOMNUHLF-TZSQYTAESA-N
XLogP4.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine?
The IUPAC name of (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine (CID 170276263) is (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine.
What is the SMILES notation for (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine?
The canonical SMILES for (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine is C/C=C(/C=C(\N)CCC(CC)CC)C1=CCCN=C1C.
What is the InChIKey of (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine?
The InChIKey is NKCCHSLOMNUHLF-TZSQYTAESA-N. The full InChI is InChI=1S/C18H30N2/c1-5-15(6-2)10-11-17(19)13-16(7-3)18-9-8-12-20-14(18)4/h7,9,13,15H,5-6,8,10-12,19H2,1-4H3/b16-7-,17-13-.
What are the key properties of (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine?
(2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine has a molecular weight of 274.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-8-ethyl-3-(6-methyl-2,3-dihydropyridin-5-yl)deca-2,4-dien-5-amine is sourced from PubChem (CID 170276263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).